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NASA NTRS1981

An experimental study of massive blowing from a nosetip during Jovian entry

The fluid dynamic structure and stability of the boundary layer and shock layer ahead of a highly blowing heat shield in an environment simulating entry into the Jovian atmosphere were investigated. The experimental studies were conducted in the Calspan 96 in shock tunnel with a freestream of a H2/He mixture at Mach numbers above 10. Measurements of heat transfer and pressure were made on the porous model surface, and high-speed schlieren photography was used to examine the structure and stability of the shock layer. Results are presented which show how the heat transfer and shock layer stability vary for gases of different molecular weights for a range of Reynolds numbers and mass-addition rates.

Holden, M. S.↗

NASA NTRS1982

Fluid models and simulations of biological cell phenomena

The dynamics of coated droplets are examined within the context of biofluids. Of specific interest is the manner in which the shape of a droplet, the motion within it as well as that of aggregates of droplets can be controlled by the modulation of surface properties and the extent to which such fluid phenomena are an intrinsic part of cellular processes. From the standpoint of biology, an objective is to elucidate some of the general dynamical features that affect the disposition of an entire cell, cell colonies and tissues. Conventionally averaged field variables of continuum mechanics are used to describe the overall global effects which result from the myriad of small scale molecular interactions. An attempt is made to establish cause and effect relationships from correct dynamical laws of motion rather than by what may have been unnecessary invocation of metabolic or life processes. Several topics are discussed where there are strong analogies droplets and cells including: encapsulated droplets/cell membranes; droplet shape/cell shape; adhesion and spread of a droplet/cell motility and adhesion; and oams and multiphase flows/cell aggregates and tissues. Evidence is presented to show that certain concepts of continuum theory such as suface tension, surface free energy, contact angle, bending moments, etc. are relevant and applicable to the study of cell biology.

Greenspan, H. P.↗

NASA NTRS2000

Rayleigh Scattering Diagnostic for Simultaneous Measurements of Dynamic Density and Velocity

A flow diagnostic technique based on the molecular Rayleigh scattering of laser light is used to obtain dynamic density and velocity data in turbulent flows. The technique is based on analyzing the Rayleigh scattered light with a Fabry-Perot interferometer and recording information about the interference pattern with a multiple anode photomultiplier tube (PMT). An artificial neural network is used to process the signals from the PMT to recover the velocity time history, which is then used to calculate the velocity power spectrum. The technique is illustrated using simulated data. The results of an experiment to measure the velocity power spectrum in a low speed (100 rn/sec) flow are also presented.

Seasholtz, Richard G.↗

NASA NTRS1983

Modelling of photodegradation in solar cell modules of substrate and superstrate design made with ethylene-vinyl acetate as pottant material

A computer model was developed which can generate realistic concentration versus time profiles of the chemical species formed during photooxidation of hydrocarbon polymers using as input data a set of elementary reactions with corresponding rate constants and initial conditions. The results of computer simulation have been shown to be consistent with the general experimental observations of the photooxidation of polyethylene exposed to sunlight at ambient temperatures. The useful lifetime (5% oxidation) of the unstabilized polyethylene is predicted to vary from a few months in hot weather (100 F) to almost two years in cool weather (45 F) with an apparent net activation energy of 10 kcal/mol. Modelling studies of alternate mechanisms for stabilization of clear, amorphous, linear polyethylene suggest that the optimum stabilizer would be a molecularly dispensed additive in very low concentration which can trap peroxy radicals and also decompose hydroperoxides.

Somersall, A. C.↗

NASA NTRS1978

Electron paramagnetic resonance studies of slowly tumbling vanadyl spin probes in nematic liquid crystals

The purposes of this vanadyl spin probe study are threefold: (1) to establish when the breakdown of motionally narrowed formulas occurs; (2) to analyze the experimental vanadyl EPR line shapes by the stochastic Lioville method as developed by Polnaszek et al. (1973) for slow tumbling in an anisotropic liquid; and (3) to compare the vanadyl probe study results with those of Polnaszek and Freed (1975). Spectral EPR line shapes are simulated for experimental spectra of vanadyl acetylacetonate (VOAA) in nematic liquid crystal butyl p-(p-ethoxyphenoxycarbonyl) phenyl carbonate (BEPC) and Phase V of EM laboratories. It is shown that the use of typical vanadyl complexes as spin probes for nematic liquid crystals simplifies the theoretical analysis and the subsequent interpretation. Guidelines for the breakdown of motionally narrowed formulas are established. Both the slow tumbling aspects and the effects of non-Brownian rotation should be resolved in order to extract quantitative information about molecular ordering and rotational mobility.

Bruno, G. V.↗

NASA NTRS1989

Computer simulation of dust grain evolution

The latest results are reported from a Monte Carlo code that is being developed at NASA Ames. The goal of this program, is to derive from the observed and presumed properties of the interstellar medium (ISM) the following information: (1) the size spectrum of interstellar dust; (2) the chemical structure of interstellar dust; (3) interstellar abundances; and (4) the lifetime of a dust grain in the ISM. Presently this study is restricted to refractory interstellar material, i.e., the formation and destruction of ices are not included in the program. The program is embedded in an analytic solution for the bulk chemical evolution of a two-phase interstellar medium in which stars are born in molecular clouds, but new nucleosynthesis products and stellar return are entered into a complementary intercloud medium. The well-mixed matter of each interstellar phase is repeatedly cycled stochastically through the complementary phase and back. Refractory dust is created by thermal condensation as stellar matter flows away from sites of nucleosynthesis such as novae and supernovae and/or from the matter returned from evolved intermediate stars. The history of each particle is traced by standard Monte Carlo techniques as it is sputtered and fragmented by supernova shock waves in the intercloud medium. It also accretes an amorphous mantle of gaseous refractory atoms when its local medium joins with the molecular cloud medium. Finally it encounters the possibility of astration (destruction by star formation) within the molecular clouds.

Liffman, K.↗

NASA NTRS2022

Clumped-Isotope Constraint on Upper-Tropospheric Cooling During the Last Glacial Maximum

Ice cores and other paleotemperature proxies, together with general circulation models, have provided information on past surface temperatures and the atmosphere's composition in different climates. Little is known, however, about past temperatures at high altitudes, which play a crucial role in Earth's radiative energy budget. Paleoclimate records at high-altitude sites are sparse, and the few that are available show poor agreement with climate model predictions. These disagreements could be due to insufficient spatial coverage, spatiotemporal biases, or model physics; new records that can mitigate or avoid these uncertainties are needed. Here, we constrain the change in upper-tropospheric temperature at the global scale during the Last Glacial Maximum (LGM) using the clumped-isotope composition of molecular oxygen trapped in polar ice cores. Aided by global three-dimensional chemical transport modeling, we exploit the intrinsic temperature sensitivity of the clumped-isotope composition of atmospheric oxygen to infer that the upper troposphere (effective mean altitude 10–11 km) was 6–9°C cooler during the LGM than during the late preindustrial Holocene. A complementary energy balance approach supports a minor or negligible steepening of atmospheric lapse rates during the LGM, which is consistent with a range of climate model simulations. Proxy-model disagreements with other high-altitude records may stem from inaccuracies in regional hydroclimate simulation, possibly related to land-atmosphere feedbacks.

clumped isotope↗

NASA NTRS1971

The application of an ultraviolet sensitive fire detector in a manned space vehicle.

Description of a detector which is sensitive to the ultraviolet molecular emissions of flames and has been selected as the basic element of the NASA Skylab fire-detection system. This detector is sensitive to approximately 10 to the minus 12th watts of ultraviolet radiation and will detect small flames at distances in excess of three meters. Its response to a variety of burning spacecraft materials has been investigated both in one-gravity and zero-gravity. The results of experiments conducted in an aircraft flying zero-gravity parabolas in an attempt to simulate the characteristics of a fire which the detector must sense are cited.

Linford, R. M. F.↗

NASA NTRS1995

On the uncertainty in single molecule fluorescent lifetime and energy emission measurements

Time-correlated single photon counting has recently been combined with mode-locked picosecond pulsed excitation to measure the fluorescent lifetimes and energy emissions of single molecules in a flow stream. Maximum likelihood (ML) and least square methods agree and are optimal when the number of detected photons is large however, in single molecule fluorescence experiments the number of detected photons can be less than 20, 67% of those can be noise and the detection time is restricted to 10 nanoseconds. Under the assumption that the photon signal and background noise are two independent inhomogeneous poisson processes, we derive the exact joint arrival time probably density of the photons collected in a single counting experiment performed in the presence of background noise. The model obviates the need to bin experimental data for analysis, and makes it possible to analyze formally the effect of background noise on the photon detection experiment using both ML or Bayesian methods. For both methods we derive the joint and marginal probability densities of the fluorescent lifetime and fluorescent emission. the ML and Bayesian methods are compared in an analysis of simulated single molecule fluorescence experiments of Rhodamine 110 using different combinations of expected background nose and expected fluorescence emission. While both the ML or Bayesian procedures perform well for analyzing fluorescence emissions, the Bayesian methods provide more realistic measures of uncertainty in the fluorescent lifetimes. The Bayesian methods would be especially useful for measuring uncertainty in fluorescent lifetime estimates in current single molecule flow stream experiments where the expected fluorescence emission is low. Both the ML and Bayesian algorithms can be automated for applications in molecular biology.

Brown, Emery N.↗

NASA NTRS1996

On the Uncertainty in Single Molecule Fluorescent Lifetime and Energy Emission Measurements

Time-correlated single photon counting has recently been combined with mode-locked picosecond pulsed excitation to measure the fluorescent lifetimes and energy emissions of single molecules in a flow stream. Maximum likelihood (ML) and least squares methods agree and are optimal when the number of detected photons is large, however, in single molecule fluorescence experiments the number of detected photons can be less than 20, 67 percent of those can be noise, and the detection time is restricted to 10 nanoseconds. Under the assumption that the photon signal and background noise are two independent inhomogeneous Poisson processes, we derive the exact joint arrival time probability density of the photons collected in a single counting experiment performed in the presence of background noise. The model obviates the need to bin experimental data for analysis, and makes it possible to analyze formally the effect of background noise on the photon detection experiment using both ML or Bayesian methods. For both methods we derive the joint and marginal probability densities of the fluorescent lifetime and fluorescent emission. The ML and Bayesian methods are compared in an analysis of simulated single molecule fluorescence experiments of Rhodamine 110 using different combinations of expected background noise and expected fluorescence emission. While both the ML or Bayesian procedures perform well for analyzing fluorescence emissions, the Bayesian methods provide more realistic measures of uncertainty in the fluorescent lifetimes. The Bayesian methods would be especially useful for measuring uncertainty in fluorescent lifetime estimates in current single molecule flow stream experiments where the expected fluorescence emission is low. Both the ML and Bayesian algorithms can be automated for applications in molecular biology.

Brown, Emery N.↗

NASA NTRS2000

Molecular Spectroscopy in Astrophysics: The Case of Polycyclic Aromatic Hydrocarbons

The role of molecular spectroscopy in astrophysics and astrochemistry is discussed in the context of the study of large, complex, carbon-bearing molecules, namely, Polycyclic Aromatic Hydrocarbons or PAHs. These molecular species are now thought to be widespread in the interstellar medium in their neutral and ionized forms. Identifying the carriers responsible for unidentified interstellar spectral bands will allow to derive important information on cosmic elemental abundances as well as information on the physical conditions (density, temperature) reigning in specific interstellar environments. These, in turn, are key elements for a correct understanding of the energetic mechanisms that govern the origin and the evolution of the interstellar medium. A multidisciplinary approach - combining astronomical observations with laboratory simulations and theoretical modeling - is required to address these complex issues. Laboratory spectra of several PAHs, isolated at low temperature in inert gas matrices or seeded in a supersonic jet expansion, are discussed here and compared to the astronomical spectra of reddened, early type, stars. The electronic spectroscopy of PAHs in the ultraviolet, visible, and near-infrared domains is reviewed and an assessment of the potential contribution of PAHs to the interstellar extinction in the ultraviolet and in the visible is discussed.

Salama, Farid↗

NASA NTRS1995

Reduced dimer production in solar-simulator-pumped continuous wave iodine lasers based on model simulations and scaling and pumping studies

A numerical rate equation model for a continuous wave iodine laser with longitudinally flowing gaseous lasant is validated by approximating two experiments that compare the perfluoroalkyl iodine lasants n-C3F7I and t-C4F9I. The salient feature of the simulations is that the production rate of the dimer (C4F9)2 is reduced by one order of magnitude relative to the dimer (C3F7)2. The model is then used to investigate the kinetic effects of this reduced dimer production, especially how it improves output power. Related parametric and scaling studies are also presented. When dimer production is reduced, more monomer radicals (t-C4F9) are available to combine with iodine ions, thus enhancing depletion of the laser lower level and reducing buildup of the principal quencher, molecular iodine. Fewer iodine molecules result in fewer downward transitions from quenching and more transitions from stimulated emission of lasing photons. Enhanced depletion of the lower level reduces the absorption of lasing photons. The combined result is more lasing photons and proportionally increased output power.

Costen, Robert C.↗

NASA NTRS2000

Thermodynamics of Aqueous Organic Sulfur Compounds: A Key to the Organic Geochemistry of Hydrothermal Systems?

Hydrothermal environments are locations of varied geochemistry due to the disequilibrium between vent fluids and seawater. The disequilibrium geochemistry has been hypothesized to include reactions to synthesize organic compounds. Observations of the organic geochemistry of hydrothermal vent sites has received little attention. Experimental simulations of these environments, however, indicate that organic compounds may have difficulty forming in a purely aqueous environment. On the other hand, thiols. thioesters and disulfides have been implicated as reaction intermediates between CO or CO2 in experiments of carbon reduction in hydrothermal environments as well as in a variety of biological processes and other abiotic reactions (Wachtershauser, 1990, OLEB 20, 173; Heinen and Lauwers, 1996, OLEB 26, 13 1, Huber and Wachtershauser, 1997, Science 276, 245; Russell et al., 1998, in Thermophiles: The keys to molecular evolution and the origin of life?). The reduction of CO2 to thiols, for example, is observed using the FeS-H2S/FeS2 couple to provide the reducing power (see Schoonen et al., 1999, OLEB 29, 5). In addition, the enzyme involved in final stage of methanogenesis, coenzyme-M, is itself a thiol. Thus, organic sulfur compounds may hold the key to the organic chemistry leading to the origin of life at high temperatures. Understanding the biochemical processes of microorganisms that can live to temperatures at least as high as 113 C (Blochl et al., 1996, Extremophiles 1, 14) requires knowledge of the properties of the chemical reactions involved. In order to assess the role of aqueous organic sulfur compounds in hydrothermal organic geochemistry, we have been attempting to determine their thermodynamic properties. We have culled the literature to obtain the properties of organic sulfur compounds. We are able to calculate a number of essential properties, such as free energies of formation, from solubility data available in the literature together with standard properties of organic sulfur gases. However, a number of the properties for aqueous organic sulfur compounds have not been experimentally determined. Furthermore, most of thermodynamic data that are available are for 25 C and 1 bar. In order to determine reaction properties to temperatures and pressures appropriate to the hydrothermal conditions in which thermophilic organisms actually live, we use equations of state developed by Helgeson and co-workers (Helgeson et al., 1981, AJS 281, 1249). A key piece of information needed to go up in temperature is the partial molal heat capacity, which is one of the properties for which experimental data are unavailable for nearly all organic sulfur compounds. We have used correlation methods to determine the partial molal heat capacities and volumes of many organic solutes. These estimates allow us to asses the role of organic sulfur compounds during the reduction of carbon in hydrothermal settings. We will present these data, along with examples of the thermodynamic properties of reactions involving aqueous organic sulfur compounds.

Schulte, Mitchell↗

NASA NTRS1975

Low gravity synthesis of polymers with controlled molecular configuration

Heterogeneous chemical systems have been studied for the synthesis of isotactic polypropylene in order to establish baseline parameters for the reaction process and to develop sensitive and accurate methods of analysis. These parameters and analytical methods may be used to make a comparison between the polypropylene obtained at one g with that of zero g (gravity). Baseline reaction parameters have been established for the slurry (liquid monomer in heptane/solid catalyst) polymerization of propylene to yield high purity, 98% isotactic polypropylene. Kinetic data for the slurry reaction showed that a sufficient quantity of polymer for complete characterization can be produced in a reaction time of 5 min; this time is compatible with that available on a sounding rocket for a zero-g simulation experiment. The preformed (activated) catalyst was found to be more reproducible in its activity than the in situ formed catalyst.

Heimbuch, A. H.↗

NASA NTRS2009

On the Divergence of the Velocity Vector in Real-Gas Flow

A theoretical study was performed addressing the degree of applicability or inapplicability, to a real gas, of the occasionally stated belief that for an ideal gas, incompressibility is synonymous with a zero or very low Mach number. The measure of compressibility used in this study is the magnitude of the divergence of the flow velocity vector [V(bar) (raised dot) u (where u is the flow velocity)]. The study involves a mathematical derivation that begins with the governing equations of flow and involves consideration of equations of state, thermodynamics, and fluxes of heat, mass, and the affected molecular species. The derivation leads to an equation for the volume integral of (V(bar) (raised dot) u)(sup 2) that indicates contributions of several thermodynamic, hydrodynamic, and species-flux effects to compressibility and reveals differences between real and ideal gases. An analysis of the equation leads to the conclusion that for a real gas, incompressibility is not synonymous with zero or very small Mach number. Therefore, it is further concluded, the contributions to compressibility revealed by the derived equation should be taken into account in simulations of real-gas flows.

Bellan, Josette↗

NASA NTRS2005

Simulations of Evaporating Multicomponent Fuel Drops

A paper presents additional information on the subject matter of Model of Mixing Layer With Multicomponent Evaporating Drops (NPO-30505), NASA Tech Briefs, Vol. 28, No. 3 (March 2004), page 55. To recapitulate: A mathematical model of a three-dimensional mixing layer laden with evaporating fuel drops composed of many chemical species has been derived. The model is used to perform direct numerical simulations in continuing studies directed toward understanding the behaviors of sprays of liquid petroleum fuels in furnaces, industrial combustors, and engines. The model includes governing equations formulated in an Eulerian and a Lagrangian reference frame for the gas and drops, respectively, and incorporates a concept of continuous thermodynamics, according to which the chemical composition of a fuel is described by use of a distribution function. In this investigation, the distribution function depends solely on the species molar weight. The present paper reiterates the description of the model and discusses further in-depth analysis of the previous results as well as results of additional numerical simulations assessing the effect of the mass loading. The paper reiterates the conclusions reported in the cited previous article, and states some new conclusions. Some new conclusions are: 1. The slower evaporation and the evaporation/ condensation process for multicomponent-fuel drops resulted in a reduced drop-size polydispersity compared to their single-component counterpart. 2. The inhomogeneity in the spatial distribution of the species in the layer increases with the initial mass loading. 3. As evaporation becomes faster, the assumed invariant form of the molecular- weight distribution during evaporation becomes inaccurate.

Bellan, Josette↗

NASA NTRS1994

Investigation of ramp injectors for supersonic mixing enhancement

A comparative study of wall mounted swept ramp injectors fitted with injector nozzles of different shape has been conducted in a constant area duct to explore mixing enhancement techniques for scramjet combustors. Six different injector nozzle inserts, all having equal exit and throat areas, were tested to explore the interaction between the preconditioned fuel jet and the vortical flowfield produced by the ramp: circular nozzle (baseline), nozzle with three downstream facing steps, nozzle with four vortex generators, elliptical nozzle, tapered-slot nozzle, and trapezoidal nozzle. The main flow was air at Mach 2, and the fuel was simulated by air injected at Mach 1.63 or by helium injected at Mach 1.7. Pressure and temperature surveys, combined with Mie and Rayleigh scattering visualization, were used to investigate the flow field. The experiments were compared with three dimensional Navier-Stokes computations. The results indicate that the mixing process is dominated by the streamwise vorticity generated by the ramp, the injectors' inner geometry having a minor effect. It was also found that the injectant/air mixing in the far-field is nearly independent of the injector geometry, molecular weight of the injectant, and the initial convective Mach number.

Haimovitch, Y.↗

NASA NTRS2008

Modifications to Axially Symmetric Simulations Using New DSMC (2007) Algorithms

Several modifications aimed at improving physical accuracy are proposed for solving axially symmetric problems building on the DSMC (2007) algorithms introduced by Bird. Originally developed to solve nonequilibrium, rarefied flows, the DSMC method is now regularly used to solve complex problems over a wide range of Knudsen numbers. These new algorithms include features such as nearest neighbor collisions excluding the previous collision partners, separate collision and sampling cells, automatically adaptive variable time steps, a modified no-time counter procedure for collisions, and discontinuous and event-driven physical processes. Axially symmetric solutions require radial weighting for the simulated molecules since the molecules near the axis represent fewer real molecules than those farther away from the axis due to the difference in volume of the cells. In the present methodology, these radial weighting factors are continuous, linear functions that vary with the radial position of each simulated molecule. It is shown that how one defines the number of tentative collisions greatly influences the mean collision time near the axis. The method by which the grid is treated for axially symmetric problems also plays an important role near the axis, especially for scalar pressure. A new method to treat how the molecules are traced through the grid is proposed to alleviate the decrease in scalar pressure at the axis near the surface. Also, a modification to the duplication buffer is proposed to vary the duplicated molecular velocities while retaining the molecular kinetic energy and axially symmetric nature of the problem.

Liechty, Derek S.↗